>compound Indole-3-acetaldehyde_Indole-3-acetaldehyde
#instrument UPLC Q-Tof Premier, Waters
>formula C10H9NO
#smiles O=CCc(c1)c(c2)c(ccc2)n1
#RECORD LC-ESI-QTOF_train_data/PR100147.txt;LC-ESI-QTOF_train_data/PR100569.txt
>charge 1
>ionization [M+H]+
>parentmass 160.07621

>collision 5-60
91.0553 13.54
115.0556 8.828
117.0578 40.6
118.0657 141.4
130.0648 61.68
131.0719 13.26
132.0823 40.39
144.0475 6.791
145.0511 7.021
160.0762 63.09

>collision 5-60
128.05 118.4
130.0656 130.3
158.0606 227.9

